Information card for entry 2230488
Chemical name |
Bis(2-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10'-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) |
Formula |
C28 H22 Cu N2 O4 |
Calculated formula |
C28 H22 Cu N2 O4 |
SMILES |
[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1ccccc1C)OC(=O)c1ccccc1C |
Title of publication |
Bis(2-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')(1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) |
Authors of publication |
Ni, Sheng-Liang; Zhou, Feng; Qi, Jin-Li |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
6 |
Pages of publication |
m779 |
a |
16.245 ± 0.003 Å |
b |
10.136 ± 0.002 Å |
c |
14.048 ± 0.003 Å |
α |
90° |
β |
99.15 ± 0.03° |
γ |
90° |
Cell volume |
2283.7 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0982 |
Residual factor for significantly intense reflections |
0.0454 |
Weighted residual factors for significantly intense reflections |
0.0962 |
Weighted residual factors for all reflections included in the refinement |
0.15 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.13 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2230488.html